1-(3-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Basic information
- CAS
89082-06-4- Standard SMILES
COc1cccc(C(=O)Cn2cncn2)c1- InChIKey
DINCHDZKCLOPQM-UHFFFAOYSA-N- Molecular formula
- C11H11N3O2
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.0851266
Names & identifiers
- Preferred name
- 1-(3-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
- IUPAC
- 1-(3-methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
Names & synonyms
89082-06-41-(3-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-oneDTXSID50612091RefChem:224472DTXCID105628461-(3-Methoxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone1-(3-Methoxyphenyl)-2-(1H-1,2,4-triazol-1-yl)ethanoneSCHEMBL10661342A1-05660
Database identifiers
- CAS
89082-06-4- PubChem CID
- 21294906
- DTXSID
DTXSID50612091
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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